N',N'-diethyl-N-(4-methyl-3-phenyl-phenyl)hexane-1,6-diamine; ethanedioic acid; hydrate

Systemtic Name: N',N'-diethyl-N-(4-methyl-3-phenyl-phenyl)hexane-1,6-diamine; ethanedioic acid; hydrate Openeye Name: N',N'-diethyl-N-(4-methyl-3-phenyl-phenyl)hexane-1,6-diamine; oxalic acid; hydrate CAS Name: N',N'-diethyl-N-(4-methyl-3-phenylphenyl)hexane-1,6-diamine; oxalic acid; hydrate IUPAC Name: N',N'-diethyl-N-(4-methyl-3-phenylphenyl)hexane-1,6-diamine; oxalic acid; hydrate Traditional Name: diethyl-[6-(4-methyl-3-phenyl-anilino)hexyl]amine; oxalic acid; hydrate Formula: C27H40N2O9 MolecularWeight: 536.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCNC1=CC(=C(C=C1)C)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCN(CC)CCCCCCNC1=CC(=C(C=C1)C)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C23H34N2.2C2H2O4.H2O/c1-4-25(5-2)18-12-7-6-11-17-24-22-16-15-20(3)23(19-22)21-13-9-8-10-14-21;2*3-1(4)2(5)6;/h8-10,13-16,19,24H,4-7,11-12,17-18H2,1-3H3;2*(H,3,4)(H,5,6);1H2